This chemical is called 5-Bromo-2-trifluoromethoxypyridine, and it can also be named as pyridine, 5-bromo-2-(trifluoromethoxy)-. With the molecular formula of C6H3BrF3NO, its molecular weight is 241.9933296. The CAS registry number of this chemical is 886371-77-3.
Other characteristics of the 5-Bromo-2-trifluoromethoxypyridine can be summarised as followings: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.64; (4)ACD/LogD (pH 7.4): 3.64; (5)ACD/BCF (pH 5.5): 346.25; (6)ACD/BCF (pH 7.4): 346.25; (7)ACD/KOC (pH 5.5): 2287.17; (8)ACD/KOC (pH 7.4): 2287.17; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 39.16 cm3; (15)Molar Volume: 139.2 cm3; (16)Polarizability: 15.52×10-24cm3; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 1.737 g/cm3; (19)Flash Point: 48.8 °C; (20)Enthalpy of Vaporization: 37.76 kJ/mol; (21)Boiling Point: 157.1 °C at 760 mmHg; (22)Vapour Pressure: 3.61 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1cc(ncc1Br)OC(F)(F)F
2.InChI: InChI=1/C6H3BrF3NO/c7-4-1-2-5(11-3-4)12-6(8,9)10/h1-3H
3.InChIKey: SQDAZGGFXASXDW-UHFFFAOYAD
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